N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide

Systemtic Name: N-[2-[(4-methylsulfonyl-2-nitro-phenyl)amino]ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Openeye Name: N-[2-(4-methylsulfonyl-2-nitro-anilino)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide CAS Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-(1-pyrrolyl)-2-thiophenecarboxamide IUPAC Name: N-[2-(4-methylsulfonyl-2-nitroanilino)ethyl]-3-pyrrol-1-ylthiophene-2-carboxamide Traditional Name: N-[2-(4-mesyl-2-nitro-anilino)ethyl]-3-pyrrol-1-yl-thiophene-2-carboxamide Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C(C=CS2)N3C=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NCCNC(=O)C2=C(C=CS2)N3C=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c1-29(26,27)13-4-5-14(16(12-13)22(24)25)19-7-8-20-18(23)17-15(6-11-28-17)21-9-2-3-10-21/h2-6,9-12,19H,7-8H2,1H3,(H,20,23)